Glycoside

GD017761
Name:
NoneFormula:
C26H28O8N9PSmiles:
C[C@H](NP(=O)(OC[C@]1(N=[N+]=[N-])O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1Aglycone:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
[N-]=[N+]=NC1(O)OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 17 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.31 |
AlogP: | 2.59 | Num_rotatable_bonds: | 12 |
MolWt: | 625.54 | Num_heavy_atoms: | 44 |
TPSA: | 241.93 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2HBA: | 5 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
MolWt: | 134.12 | Num_heavy_atoms: | 10 |
TPSA: | 78.26 | NumAromaticRings: | 1 |
AD01778
Formula: C17H20O5NP
Smiles:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1ccccc1HBA: | 6 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.24 |
AlogP: | 3.54 | Num_rotatable_bonds: | 8 |
MolWt: | 349.32 | Num_heavy_atoms: | 24 |
TPSA: | 73.86 | NumAromaticRings: | 2 |